1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Basic information
- CAS
797798-85-7- Standard SMILES
Cc1cc(C(=O)O)c(C)n1C1CCCCC1- InChIKey
AAVGWKKJNWJABL-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylic acid
- English name
- 1H-Pyrrole-3-carboxylicacid,1-cyclohexyl-2,5-dimethyl-(9CI)
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid797798-85-7DTXSID40359180RefChem:229710DTXCID203102341-cyclohexyl-2,5-dimethylpyrrole-3-carboxylic acid1H-Pyrrole-3-carboxylicacid,1-cyclohexyl-2,5-dimethyl-(9CI)SCHEMBL14886586XGB79885STL283802AKOS000264241SB63364
Show more names
1H-Pyrrole-3-carboxylic acid, 1-cyclohexyl-2,5-dimethyl-
DA-29481CS-0233912ST50021997EN300-13705G36363SR-01000323817SR-01000323817-11-cyclohexyl-2,5-dimethyl-pyrrole-3-carboxylic acid
Database identifiers
- CAS
797798-85-7- PubChem CID
- 949786
- DTXSID
DTXSID40359180- EC Number
- 980-977-6
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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